Regensburg 2016 – wissenschaftliches Programm

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HL: Fachverband Halbleiterphysik

HL 36: Poster Ib

HL 36.11: Poster

Dienstag, 8. März 2016, 15:00–19:00, Poster A

The effect of electric field on polaron dynamics in quasi-one-dimensional conjugated polymers — •M.R. Mahani, A. Mirsakiyeva, and Anna Delin — Department of Materials and Nanophysics, School of Information and Communication Technology, Electrum 229, Royal Institute of Technology (KTH), SE-16440, Sweden.

Due to the strong electron-phonon coupling in conjugated polymers, the fundamental electronic excitations in these materials are always accompanied with a lattice distortion. The additional charge carriers dressed with a local structural deformation are called polarons and bipolarons. Among the successful theoretical methods to describe these excitations, density functional theory tends to underestimate the self-localizations, while the Hartree-Fock overestimates them. By use of the adopted Su-Schrieffer-Heeger Hamiltonian which has accurately reproduced the band structure, polaron formation, and other properties of the neutral and doped conjugated polymers, we investigate the effect of electric field on the polaron dynamics. We include an electric field in the Hamiltonian through the time-dependent vector potential via Peierls substitution of the phase factor. We solve the coupled quantum-classical equations for the electrons and the lattice displacements in the polymer chain, using numerical integration scheme. Our calculations elucidate the effect of electric field on the dynamics of polaron in quasi-one-dimensional polymers and contribute to the understanding of the polymer-based light-emitting diodes in which the injected carriers are usually under electric fields with different magnitudes.

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